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Home > Nitro Compounds > 823785-92-8
823785-92-8 | 2-Pyrrolidinone, 3-(4-nitrophenyl)-1,5-bis(phenylmethyl)-, (5R)-
CAS No: 823785-92-8 Catalog No: AG005D75 MDL No:
Product Description
Catalog Number:
AG005D75
Chemical Name:
2-Pyrrolidinone, 3-(4-nitrophenyl)-1,5-bis(phenylmethyl)-, (5R)-
CAS Number:
823785-92-8
Molecular Formula:
C24H22N2O3
Molecular Weight:
386.4431
IUPAC Name:
(5R)-1,5-dibenzyl-3-(4-nitrophenyl)pyrrolidin-2-one
InChI:
InChI=1S/C24H22N2O3/c27-24-23(20-11-13-21(14-12-20)26(28)29)16-22(15-18-7-3-1-4-8-18)25(24)17-19-9-5-2-6-10-19/h1-14,22-23H,15-17H2/t22-,23?/m0/s1
InChI Key:
HRWUNQWZFBFPSE-NQCNTLBGSA-N
SMILES:
O=C1C(C[C@@H](N1Cc1ccccc1)Cc1ccccc1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
386.163g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.451g/mol
Monoisotopic Mass:
386.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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